5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C22H22N4O4 — CID 46948260

IUPAC5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C2CCCN(C(=O)c3cccc(O)c3)C2)on1
InChIInChI=1S/C22H22N4O4/c27-18-7-1-5-16(10-18)22(29)26-9-3-6-17(14-26)20-11-19(25-30-20)21(28)24-13-15-4-2-8-23-12-15/h1-2,4-5,7-8,10-12,17,27H,3,6,9,13-14H2,(H,24,28)
InChIKeyZPSHUHVAROHABZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.72
Rot. Bonds5

About 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46948260) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46948260
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C2CCCN(C(=O)c3cccc(O)c3)C2)on1
InChIInChI=1S/C22H22N4O4/c27-18-7-1-5-16(10-18)22(29)26-9-3-6-17(14-26)20-11-19(25-30-20)21(28)24-13-15-4-2-8-23-12-15/h1-2,4-5,7-8,10-12,17,27H,3,6,9,13-14H2,(H,24,28)
InChIKeyZPSHUHVAROHABZ-UHFFFAOYSA-N
XLogP2.72
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46948260) is 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccnc1)c1cc(C2CCCN(C(=O)c3cccc(O)c3)C2)on1.
What is the InChIKey of 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZPSHUHVAROHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-18-7-1-5-16(10-18)22(29)26-9-3-6-17(14-26)20-11-19(25-30-20)21(28)24-13-15-4-2-8-23-12-15/h1-2,4-5,7-8,10-12,17,27H,3,6,9,13-14H2,(H,24,28).
What are the key properties of 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxybenzoyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46948260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).